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7UYV
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Crystal structure of JAK3 kinase domain in complex with compound 25
分子名称: 6-{[(2M)-2-(2-chloro-6-fluorophenyl)-5-oxo-5H-pyrrolo[3,4-b]pyridin-4-yl]amino}-N-ethylpyridine-3-carboxamide, CHLORIDE ION, Tyrosine-protein kinase JAK3
著者Toms, A.V, Leit, S, Greenwood, J.R, Mondal, S, Carriero, S, Dahlgren, M, Harriman, G.C, Kennedy-Smith, J.J, Kapeller, R, Lawson, J.P, Romero, D.L, Shelley, M, Wester, R.T, Westlin, W, Mc Elwee, J.J, Miao, W, Edmondson, S.D, Massee, C.E.
登録日2022-05-07
公開日2022-08-24
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Potent and selective TYK2-JH1 inhibitors highly efficacious in rodent model of psoriasis.
Bioorg.Med.Chem.Lett., 73, 2022
7UYS
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BU of 7uys by Molmil
Crystal structure of TYK2 kinase domain in complex with compound 16
分子名称: 2-(2,6-difluorophenyl)-4-(4-methoxyanilino)-5H-pyrrolo[3,4-d]pyrimidin-5-one, Non-receptor tyrosine-protein kinase TYK2
著者Toms, A.V, Leit, S, Greenwood, J.R, Mondal, S, Carriero, S, Dahlgren, M, Harriman, G.C, Kennedy-Smith, J.J, Kapeller, R, Lawson, J.P, Romero, D.L, Shelley, M, Wester, R.T, Westlin, W, Mc Elwee, J.J, Miao, W, Edmondson, S.D, Massee, C.E.
登録日2022-05-07
公開日2022-08-24
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Potent and selective TYK2-JH1 inhibitors highly efficacious in rodent model of psoriasis.
Bioorg.Med.Chem.Lett., 73, 2022
7TIO
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BU of 7tio by Molmil
B Domain of Staphylococcal protein A: Native backbone
分子名称: Immunoglobulin G binding protein A
著者Santhouse, J.R, Leung, J.M.G, Chong, L.T, Horne, W.S.
登録日2022-01-14
公開日2022-11-23
実験手法SOLUTION NMR
主引用文献Implications of the unfolded state in the folding energetics of heterogeneous-backbone protein mimetics.
Chem Sci, 13, 2022
7W2S
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BU of 7w2s by Molmil
Crystal structure of TxGH116 E730A mutant from Thermoanaerobacterium xylanolyticum with glucose
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ...
著者Huang, M, Pengthaisong, S, Charoenwattanasatien, R, Jitonnom, J, Ketudat Cairns, J.R.
登録日2021-11-24
公開日2022-04-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Systematic Functional and Computational Analysis of Glucose-Binding Residues in Glycoside Hydrolase Family GH116.
Catalysts, 12, 2022
7W2W
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BU of 7w2w by Molmil
Crystal structure of TxGH116 R786K mutant from Thermoanaerobacterium xylanolyticum with glucose
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ...
著者Huang, M, Pengthaisong, S, Charoenwattanasatien, R, Jitonnom, J, Ketudat Cairns, J.R.
登録日2021-11-24
公開日2022-04-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Systematic Functional and Computational Analysis of Glucose-Binding Residues in Glycoside Hydrolase Family GH116.
Catalysts, 12, 2022
7W2T
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BU of 7w2t by Molmil
Crystal structure of TxGH116 E730Q mutant from Thermoanaerobacterium xylanolyticum with glucose
分子名称: CALCIUM ION, GLYCEROL, Glucosylceramidase, ...
著者Huang, M, Pengthaisong, S, Charoenwattanasatien, R, Jitonnom, J, Ketudat Cairns, J.R.
登録日2021-11-24
公開日2022-04-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Systematic Functional and Computational Analysis of Glucose-Binding Residues in Glycoside Hydrolase Family GH116.
Catalysts, 12, 2022
7W2X
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BU of 7w2x by Molmil
Crystal structure of TxGH116 R786K mutant from Thermoanaerobacterium xylanolyticum
分子名称: CALCIUM ION, GLYCEROL, Glucosylceramidase, ...
著者Huang, M, Pengthaisong, S, Charoenwattanasatien, R, Jitonnom, J, Ketudat Cairns, J.R.
登録日2021-11-24
公開日2022-04-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Systematic Functional and Computational Analysis of Glucose-Binding Residues in Glycoside Hydrolase Family GH116.
Catalysts, 12, 2022
7W2V
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BU of 7w2v by Molmil
Crystal structure of TxGH116 R786A mutant from Thermoanaerobacterium xylanolyticum with glucose
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ...
著者Huang, M, Pengthaisong, S, Charoenwattanasatien, R, Jitonnom, J, Ketudat Cairns, J.R.
登録日2021-11-24
公開日2022-04-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Systematic Functional and Computational Analysis of Glucose-Binding Residues in Glycoside Hydrolase Family GH116.
Catalysts, 12, 2022
7URJ
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BU of 7urj by Molmil
Backbone-modified variant of the B domain of Staphylococcal protein A: beta3- and ACPC-residues in helix 2
分子名称: Staphylococcal protein A
著者Santhouse, J.R, Leung, J.M.G, Chong, L.T, Horne, W.S.
登録日2022-04-22
公開日2023-05-03
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Effects of altered backbone composition on the folding kinetics and mechanism of an ultrafast-folding protein.
Chem Sci, 15, 2024
7VD6
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BU of 7vd6 by Molmil
Structure of S1M1-type FCPII complex from diatom
分子名称: (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'- yl acetate, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, ...
著者Nagao, R, Kato, K, Akita, F, Miyazaki, N, Shen, J.R.
登録日2021-09-06
公開日2022-03-02
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structural basis for different types of hetero-tetrameric light-harvesting complexes in a diatom PSII-FCPII supercomplex
Nat Commun, 13, 2022
7VD5
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Structure of C2S2M2-type PSII-FCPII supercomplex from diatom
分子名称: (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'- yl acetate, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, ...
著者Nagao, R, Kato, K, Akita, F, Miyazaki, N, Shen, J.R.
登録日2021-09-06
公開日2022-03-02
最終更新日2022-09-14
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Structural basis for different types of hetero-tetrameric light-harvesting complexes in a diatom PSII-FCPII supercomplex
Nat Commun, 13, 2022
7XQP
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BU of 7xqp by Molmil
PSI-LHCI-LHCII-Lhcb9 supercomplex of Physcomitrella patens
分子名称: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ...
著者Zhang, S, Tang, K.L, Li, X.Y, Wang, W.D, Yan, Q.J, Shen, L.L, Kuang, T.Y, Han, G.Y, Shen, J.R, Zhang, X.
登録日2022-05-08
公開日2023-04-26
最終更新日2023-06-07
実験手法ELECTRON MICROSCOPY (2.68 Å)
主引用文献Structural insights into a unique PSI-LHCI-LHCII-Lhcb9 supercomplex from moss Physcomitrium patens.
Nat.Plants, 9, 2023
7BCV
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BU of 7bcv by Molmil
Brevibacterium linens encapsulin structure
分子名称: Linocin-M18
著者Allende-Ballestero, C, Luque, D, Klem, R, Cornelissen, J.J.L.M, Caston, J.R.
登録日2020-12-21
公開日2022-10-05
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (2.28 Å)
主引用文献Three-dimensional cryoEM structure of Brevibacterium linens encapsulin
To Be Published
5KUF
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BU of 5kuf by Molmil
GluK2EM with 2S,4R-4-methylglutamate
分子名称: 2S,4R-4-METHYLGLUTAMATE, Glutamate receptor ionotropic, kainate 2
著者Meyerson, J.R, Chittori, S, Merk, A, Rao, P, Han, T.H, Serpe, M, Mayer, M.L, Subramaniam, S.
登録日2016-07-13
公開日2016-09-07
最終更新日2019-11-27
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structural basis of kainate subtype glutamate receptor desensitization.
Nature, 537, 2016
7ONI
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BU of 7oni by Molmil
Structure of Neddylated CUL5 C-terminal region-RBX2-ARIH2*
分子名称: Cullin-5, E3 ubiquitin-protein ligase ARIH2, NEDD8, ...
著者Kostrhon, S.P, prabu, J.R, Schulman, B.A.
登録日2021-05-25
公開日2021-09-15
最終更新日2021-10-06
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献CUL5-ARIH2 E3-E3 ubiquitin ligase structure reveals cullin-specific NEDD8 activation.
Nat.Chem.Biol., 17, 2021
5KKP
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BU of 5kkp by Molmil
Crystal Structure of Human Pseudouridylate Synthase 7
分子名称: 1,2-ETHANEDIOL, Pseudouridylate synthase 7, UNKNOWN ATOM OR ION
著者DONG, A, ZENG, H, WALKER, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC)
登録日2016-06-22
公開日2016-08-17
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Crystal Structure of Human Pseudouridylate Synthase 7
to be published
5KUH
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BU of 5kuh by Molmil
GluK2EM with LY466195
分子名称: (3S,4aR,6S,8aR)-6-{[(2S)-2-carboxy-4,4-difluoropyrrolidin-1-yl]methyl}decahydroisoquinoline-3-carboxylic acid, Glutamate receptor ionotropic, kainate 2
著者Meyerson, J.R, Chittori, S, Merk, A, Rao, P, Han, T.H, Serpe, M, Mayer, M.L, Subramaniam, S.
登録日2016-07-13
公開日2016-09-07
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (11.6 Å)
主引用文献Structural basis of kainate subtype glutamate receptor desensitization.
Nature, 537, 2016
5KZ5
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BU of 5kz5 by Molmil
Architecture of the Human Mitochondrial Iron-Sulfur Cluster Assembly Machinery: the Complex Formed by the Iron Donor, the Sulfur Donor, and the Scaffold
分子名称: Cysteine desulfurase, mitochondrial, Frataxin, ...
著者Gakh, O, Ranatunga, W, Smith, D.Y, Ahlgren, E.C, Al-Karadaghi, S, Thompson, J.R, Isaya, G.
登録日2016-07-22
公開日2016-08-31
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (14.3 Å)
主引用文献Architecture of the Human Mitochondrial Iron-Sulfur Cluster Assembly Machinery.
J.Biol.Chem., 291, 2016
5L12
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BU of 5l12 by Molmil
Crystal structure of 2C-methyl-D-erythritol 2,4-clycodiphosphate synthase from BURKHOLDERIA PSEUDOMALLEI double mutant
分子名称: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, ZINC ION
著者Blain, J.M, Raneiri, G, Walter, R.L, Hagen, T.J, Horn, J.R.
登録日2016-07-28
公開日2017-11-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.716 Å)
主引用文献Enzyme Engineering for the Development of a High-Throughput Temperature Screen of Burkholderia pseudomallei IspF Inhibitors
To Be Published
5KK8
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BU of 5kk8 by Molmil
Crystal structure of Nucleoside Diphosphate Kinase from Schistosoma mansoni in complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, Nucleoside diphosphate kinase
著者Torini, J.R.S, Romanello, L, Bird, L.E, Nettleship, J.E, Owens, R.J, Aller, P, DeMarco, R, Brandao-Neto, J, Pereira, H.M.
登録日2016-06-21
公開日2017-06-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Characterization of a Schistosoma mansoni NDPK expressed in sexual and digestive organs.
Mol.Biochem.Parasitol., 2019
7OP0
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BU of 7op0 by Molmil
Crystal structure of complement C5 in complex with chemically synthesized K92 knob domain.
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C5 alpha chain, ...
著者Macpherson, A, van der Elsen, J.M.H, Schulze, M.E, Birtley, J.R.
登録日2021-05-28
公開日2022-04-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献The Chemical Synthesis of Knob Domain Antibody Fragments.
Acs Chem.Biol., 16, 2021
7CJ2
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BU of 7cj2 by Molmil
Crystal structure of the Fab antibody complexed with human YKL-40
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase 3-like 1 (Cartilage glycoprotein-39), isoform CRA_a, ...
著者Choi, S, Na, J.H, Lee, S.J, Woo, J.R, Kim, D.Y, Hong, J.T, Lee, W.K.
登録日2020-07-09
公開日2021-07-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of the Fab antibody complexed with human YKL-40
To Be Published
7P4A
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BU of 7p4a by Molmil
Non-canonical Staphylococcus aureus pathogenicity island repression.
分子名称: Sri, Stl
著者Miguel-Romero, L, Alqasmi, M, Bacarizo, J, Tan, J.A, Cogdell, R.J, Chen, J, Byron, O, Christie, G.E, Marina, A, Penades, J.R.
登録日2021-07-10
公開日2022-07-27
最終更新日2022-11-16
実験手法X-RAY DIFFRACTION (2.901 Å)
主引用文献Non-canonical Staphylococcus aureus pathogenicity island repression.
Nucleic Acids Res., 50, 2022
7DKV
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BU of 7dkv by Molmil
Crystal structure of TxGH116 E441A nucleophile mutant from Thermoanaerobacterium xylanolyticum with cellotriose
分子名称: CALCIUM ION, GLYCEROL, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, ...
著者Pengthaisong, S, Ketudat Cairns, J.R.
登録日2020-11-25
公開日2021-06-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural basis for transglycosylation in glycoside hydrolase family GH116 glycosynthases.
Arch.Biochem.Biophys., 706, 2021
7DKT
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BU of 7dkt by Molmil
Crystal structure of TxGH116 E441A nucleophile mutant from Thermoanaerobacterium xylanolyticum with alpha-glucosyl fluoride
分子名称: CALCIUM ION, GLYCEROL, alpha-D-glucopyranosyl fluoride, ...
著者Pengthaisong, S, Ketudat Cairns, J.R.
登録日2020-11-25
公開日2021-06-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural basis for transglycosylation in glycoside hydrolase family GH116 glycosynthases.
Arch.Biochem.Biophys., 706, 2021

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